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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce4MgRh by Materials Project

MgCe4Rh crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Ce atoms to form a mixture of face and corner-sharing MgCe9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.15 Å. There are a spread of Mg–Ce bond distances ranging from 3.32–3.53 Å. There are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Rh atoms. All Ce–Rh bond lengths are 2.87 Å. In the second Ce site, Ce is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Rh atoms. Both Ce–Rh bond lengths are 2.85 Å. In the third Ce site, Ce is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent Rh atoms. Both Ce–Rh bond lengths are 3.53 Å. Rh is bonded in a 6-coordinate geometry to nine Ce atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3(MgRh2)2 by Materials Project

Ce3(MgRh2)2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded to five Rh atoms to form a mixture of distorted face and corner-sharing MgRh5 tetrahedra. There are a spread of Mg–Rh bond distances ranging from 2.62–3.27 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.86–3.28 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.83–3.13 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Mg, six Ce, and one Rh atom. The Rh–Rh bond length is 3.01 Å. In the second Rh site, Rh is bonded in a 7-coordinate geometry to four equivalent Mg, three Ce, and two equivalent Rh atoms. Both Rh–Rh bond lengths are 2.87 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Mg, six Ce, and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeMgRh by Materials Project

MgCeRh crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four Rh atoms. There are two shorter (2.71 Å) and two longer (2.88 Å) Mg–Rh bond lengths. Ce is bonded in a 5-coordinate geometry to five Rh atoms. There are four shorter (3.02 Å) and one longer (3.09 Å) Ce–Rh bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Ce atoms. In the second Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Ce atoms.

36 MATERIALS SCIENCE↗